CAJ | 학술논문

研究了9.84～11.80 eV光子能量范围内1-丙醇和2-丙醇的光电离和离解光电离现象,测量了1-丙醇离解光电离产生的碎片离子CH3CH2CH2OH+、CH3CH2CHOH+、CH2CH2OH+、CH3CH2CH2+、CH3CH=CH2+和CH2OH+及2-丙醇离解光电离产生的碎片离子CH3CH(OH)CH3+、CH3C(OH)CH3+、CH3CHOH+、CH2=CHOH+、CH3CHCH3+和CH3CH=CH2+的光电离效率谱,得到了这些离子的出现势.结合从头算理论计算,给出了1-丙醇的碎片离子CH3CH2CHOH+、CH2CH2OH+、CH3CH2CH2+、CH3CH=CH2+、CH2OH+和2-丙醇的碎片离子CH3C(OH)CH3+、CH3CHOH+、CH2=CHOH+、CH3CHCH+3、CH3CH=CH2+等的解离通道和解离能.理论计算结果与实验结果符合得很好.
연구료9.84～11.80 eV광자능량범위내1-병순화2-병순적광전리화리해광전리현상,측량료1-병순리해광전리산생적쇄편리자CH3CH2CH2OH+、CH3CH2CHOH+、CH2CH2OH+、CH3CH2CH2+、CH3CH=CH2+화CH2OH+급2-병순리해광전리산생적쇄편리자CH3CH(OH)CH3+、CH3C(OH)CH3+、CH3CHOH+、CH2=CHOH+、CH3CHCH3+화CH3CH=CH2+적광전리효솔보,득도료저사리자적출현세.결합종두산이론계산,급출료1-병순적쇄편리자CH3CH2CHOH+、CH2CH2OH+、CH3CH2CH2+、CH3CH=CH2+、CH2OH+화2-병순적쇄편리자CH3C(OH)CH3+、CH3CHOH+、CH2=CHOH+、CH3CHCH+3、CH3CH=CH2+등적해리통도화해리능.이론계산결과여실험결과부합득흔호.
The photoionization and dissociative photoionization of 1-propanol and 2-propanols have been studied at the photon energy range of 9.84～11.80 eV. Photoionization efficiency spectra for ions CH3CH2CH2OH+, CH3CH2CHOH+,CH2CH2OH+, CH3CH2CH2+, CH3CH=CH+2, CH2OH+ from 1-propanol, and CH3CH(OH)CH3+, CH3C(OH)CH3+, CH3CHOH+,CH2=CHOH+, CH3CHCH3+, CH3CH=CH2+ from 2-propanol have been measured. In addition, the energetics of the dissociative photoionization has been examined by ab initio Gaussion-3(G3) calculations. The computational results are useful in establishing the dissociation channels near the ionization thresholds. With the help of G3 results, the dissociation channels for formation of the fragment ions CH3CH2CHOH+, CH2CH2OH+, CH3CH2CH2+, CH3CH=CH2+,CH2OH+ from 1-propanol, and CH3C(OH)CH3+, CH3CHOH+, CH2=CHOH+, CH3CHCH3+, CH3CH=CH2+ from 2-propanol have been established. The G3 results are in excellent agreement with the experimental data.